1-(5-chloro-2,4-dipropoxyphenyl)ethanol

C14H21ClO3 — CID 82268137

IUPAC1-(5-chloro-2,4-dipropoxyphenyl)ethanol
SMILESCCCOc1cc(OCCC)c(C(C)O)cc1Cl
InChIInChI=1S/C14H21ClO3/c1-4-6-17-13-9-14(18-7-5-2)12(15)8-11(13)10(3)16/h8-10,16H,4-7H2,1-3H3
InChIKeyZDHNGOAAQFDUKT-UHFFFAOYSA-N
MW272.77 g/mol
LogP3.97
Rot. Bonds7

About 1-(5-chloro-2,4-dipropoxyphenyl)ethanol

1-(5-chloro-2,4-dipropoxyphenyl)ethanol (PubChem CID 82268137) has the molecular formula C14H21ClO3 and a molecular weight of 272.77 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dipropoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2,4-dipropoxyphenyl)ethanol
PubChem CID82268137
Molecular FormulaC14H21ClO3
Molecular Weight272.77 g/mol
Exact Mass272.12
IUPAC Name1-(5-chloro-2,4-dipropoxyphenyl)ethanol
SMILESCCCOc1cc(OCCC)c(C(C)O)cc1Cl
InChIInChI=1S/C14H21ClO3/c1-4-6-17-13-9-14(18-7-5-2)12(15)8-11(13)10(3)16/h8-10,16H,4-7H2,1-3H3
InChIKeyZDHNGOAAQFDUKT-UHFFFAOYSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
CID 82551629
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
CID 83937822
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-(2-propoxyphenyl)ethanol
CID 43503976
4-(5-chloro-2,4-diethoxyphenyl)pentane-1,2-diol
CID 83943493
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dipropoxyphenyl)ethanol?
The IUPAC name of 1-(5-chloro-2,4-dipropoxyphenyl)ethanol (CID 82268137) is 1-(5-chloro-2,4-dipropoxyphenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-2,4-dipropoxyphenyl)ethanol?
The canonical SMILES for 1-(5-chloro-2,4-dipropoxyphenyl)ethanol is CCCOc1cc(OCCC)c(C(C)O)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dipropoxyphenyl)ethanol?
The InChIKey is ZDHNGOAAQFDUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3/c1-4-6-17-13-9-14(18-7-5-2)12(15)8-11(13)10(3)16/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 1-(5-chloro-2,4-dipropoxyphenyl)ethanol?
1-(5-chloro-2,4-dipropoxyphenyl)ethanol has a molecular weight of 272.77 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dipropoxyphenyl)ethanol is sourced from PubChem (CID 82268137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).